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Striker-7
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Fe-Co-Ni-magnets

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Materials ID stringlengths 5 8	Formula stringlengths 1 14	l int64 1 72	Atomic sites per cell int64 1 252	Crystal system stringclasses 7 values	Space group [Number] stringclasses 139 values	Formation energy (eV/atom) float64 -1.82 2.07	Energy relative to convex hull (eV/atom) stringclasses 394 values	Structure search stringclasses 18 values	Averaged magnetic moment (μB/atom) float64 0 2.72	Magnetic polarization, Js (T) float64 0 2.5	Magnetic easy axis stringclasses 6 values	Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3) stringclasses 386 values	Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).1 stringclasses 242 values	Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).2 stringclasses 208 values	Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3).3 stringclasses 26 values	Curie temperature, TC (K) stringclasses 4 values	Methods stringclasses 1 value	References stringlengths 2 11
MMD-101	CoN	4	8	cubic	F-43m [216]	0.085	0.085	AGA search	0	0	.	.	.	.	.	.	DFT	DOI link
MMD-102	CoN	2	4	hexagonal	P6_3mc [186]	0.144	0.144	AGA search	0	0	.	.	.	.	.	.	DFT	DOI link
MMD-103	Co2N	2	6	orthorhombic	Pnnm [58]	0.064	0.064	AGA search	0	0	.	.	.	.	.	.	DFT	DOI link
MMD-104	Co2N	4	12	orthorhombic	Cmcm [63]	0.098	0.098	AGA search	0.34	0.4	a	-1.11	-0.14	0.96	.	.	DFT	DOI link
MMD-105	Co2N	2	6	triclinic	P1 [1]	0.113	0.113	AGA search	0.14	0.18	.	.	.	.	.	.	DFT	DOI link
MMD-106	Co2N	2	6	triclinic	P1 [1]	0.122	0.122	AGA search	0.18	0.23	.	.	.	.	.	.	DFT	DOI link
MMD-107	Co2N	2	6	orthorhombic	Pmn2_1 [31]	0.147	0.147	AGA search	0.32	0.42	c	0.21	0.38	0.17	.	.	DFT	DOI link
MMD-108	Co2N	2	6	orthorhombic	Pmma [51]	0.149	0.149	AGA search	0.52	0.65	b	0.03	-0.41	-0.43	.	.	DFT	DOI link
MMD-109	Co3N	6	24	trigonal	R-3c [167]	0.068	0.068	AGA search	0.67	0.81	c	0.86	.	.	.	.	DFT	DOI link
MMD-110	Co3N	2	8	hexagonal	P6_322 [182]	0.069	0.069	AGA search	0.72	0.87	c	0.12	.	.	.	.	DFT	DOI link
MMD-111	Co3N	4	16	orthorhombic	Cmcm [63]	0.097	0.097	AGA search	0.59	0.69	b	-0.89	-1.47	-0.58	.	.	DFT	DOI link
MMD-112	Co3N	4	16	orthorhombic	Cmcm [63]	0.109	0.109	AGA search	1.01	1.19	b	-0.18	-1.78	-1.6	.	.	DFT	DOI link
MMD-113	Co3N	4	16	orthorhombic	Cmmm [65]	0.109	0.109	AGA search	1.03	1.21	c	0.91	0.04	-0.87	.	.	DFT	DOI link
MMD-114	Co3N	4	16	monoclinic	Cm [8]	0.124	0.124	AGA search	0.6	0.72	.	.	.	.	.	.	DFT	DOI link
MMD-115	Co3N	4	16	orthorhombic	Cmcm [63]	0.127	0.127	AGA search	0.72	0.83	b	0.01	-0.75	-0.76	.	.	DFT	DOI link
MMD-116	Co3N	2	8	orthorhombic	Immm [71]	0.135	0.135	AGA search	0.8	0.97	c	0.45	2.19	1.74	.	.	DFT	DOI link
MMD-117	Co4N	2	10	monoclinic	P2_1/c [14]	0.068	0.068	AGA search	0.93	1.09	a	-1.22	-0.68	0.54	.	.	DFT	DOI link
MMD-118	Co4N	4	20	monoclinic	C2 [5]	0.072	0.072	AGA search	0.9	1.06	b	0.09	-0.12	-0.22	.	.	DFT	DOI link
MMD-119	Co4N	2	10	orthorhombic	P2_12_12 [18]	0.078	0.078	AGA search	0.96	1.12	b	-0.1	-0.28	-0.18	.	.	DFT	DOI link
MMD-120	Co4N	1	5	cubic	Pm-3m [221]	0.075	0.075	AGA search	1.26	1.43	<111>	.	.	.	0	.	DFT	DOI link
MMD-121	Co4N	2	10	orthorhombic	Pmna [53]	0.08	0.08	AGA search	0.97	1.14	b	0.1	-1.24	-1.34	.	.	DFT	DOI link
MMD-122	Co4N	4	20	tetragonal	I4/mmm [139]	0.079	0.079	AGA search	1.26	1.43	c	2.1	.	.	.	.	DFT	DOI link
MMD-123	Co4N	4	20	orthorhombic	Cmcm [63]	0.079	0.079	AGA search	0.81	0.93	b	-0.01	-0.75	-0.74	.	.	DFT	DOI link
MMD-124	Co4N	2	10	tetragonal	I4/mmm [139]	0.088	0.088	AGA search	1.23	1.4	c	3.11	.	.	.	.	DFT	DOI link
MMD-125	Co4N	2	10	orthorhombic	Pmma [51]	0.088	0.088	AGA search	1.06	1.23	b	-0.19	-0.44	-0.25	.	.	DFT	DOI link
MMD-126	Co5N	2	12	tetragonal	I4/m [87]	0.063	0.063	AGA search	1.14	1.3	ab plane	-2.43	.	.	.	.	DFT	DOI link
MMD-127	Co5N	4	24	orthorhombic	Cmcm [63]	0.063	0.063	AGA search	1.25	1.41	b	0.04	-0.97	-1.01	.	.	DFT	DOI link
MMD-128	Co5N	4	24	orthorhombic	Cmmm [65]	0.063	0.063	AGA search	1.26	1.42	a	-0.51	-0.26	0.24	.	.	DFT	DOI link
MMD-129	Co5N	4	24	monoclinic	C2 [5]	0.069	0.069	AGA search	1.08	1.24	b	0.49	-0.06	-0.55	.	.	DFT	DOI link
MMD-130	Co5N	4	24	monoclinic	C2/c [15]	0.071	0.071	AGA search	1.18	1.35	c	0.29	1.33	1.04	.	.	DFT	DOI link
MMD-131	Co5N	4	24	orthorhombic	Cmcm [63]	0.08	0.08	AGA search	1.17	1.34	c	0.04	0.62	0.57	.	.	DFT	DOI link
MMD-132	Co5N	4	24	orthorhombic	C222_1 [20]	0.082	0.082	AGA search	1.08	1.24	c	0.08	0.04	-0.04	.	.	DFT	DOI link
MMD-133	Co6N	2	14	monoclinic	C2/m [12]	0.062	0.062	AGA search	1.15	1.32	a	-0.24	0.68	0.92	.	.	DFT	DOI link
MMD-134	Co6N	2	14	tetragonal	P4/mmm [123]	0.062	0.062	AGA search	1.35	1.51	c	0.54	.	.	.	.	DFT	DOI link
MMD-135	Co6N	2	14	triclinic	P-1 [2]	0.065	0.065	AGA search	1.28	1.45	.	.	.	.	.	.	DFT	DOI link
MMD-136	Co6N	4	28	orthorhombic	Cmme [67]	0.066	0.066	AGA search	1.2	1.37	b	-0.36	-2.08	-1.72	.	.	DFT	DOI link
MMD-137	Co6N	4	28	orthorhombic	Imma [74]	0.073	0.073	AGA search	1.22	1.38	b	-0.87	-0.9	-0.03	.	.	DFT	DOI link
MMD-138	Co6N	3	21	trigonal	R-3 [148]	0.078	0.078	AGA search	1.2	1.37	ab plane	-0.29	.	.	.	.	DFT	DOI link
MMD-139	Co6N	2	14	orthorhombic	Pnnm [58]	0.081	0.081	AGA search	1.21	1.37	b	-0.06	-0.68	-0.62	.	.	DFT	DOI link
MMD-140	Co6N	1	7	trigonal	P-31m [162]	0.082	0.082	AGA search	1.24	1.41	c	0.54	.	.	.	.	DFT	DOI link
MMD-141	Co7N	2	16	triclinic	P-1 [2]	0.051	0.051	AGA search	1.19	1.36	.	.	.	.	.	.	DFT	DOI link
MMD-142	Co7N	4	32	monoclinic	C2/c [15]	0.057	0.057	AGA search	1.19	1.35	c	0.15	0.79	0.63	.	.	DFT	DOI link
MMD-143	Co7N	4	32	orthorhombic	Cmmm [65]	0.057	0.057	AGA search	1.38	1.53	c	0.18	0.02	-0.16	.	.	DFT	DOI link
MMD-144	Co7N	4	32	orthorhombic	Cmcm [63]	0.058	0.058	AGA search	1.36	1.51	b	0.02	-0.38	-0.39	.	.	DFT	DOI link
MMD-145	Co7N	4	32	orthorhombic	Cmcm [63]	0.069	0.069	AGA search	1.28	1.44	c	0.11	0.61	0.51	.	.	DFT	DOI link
MMD-146	Co8N	4	36	cubic	Fm-3m [225]	0.039	0.039	AGA search	1.29	1.45	a	.	.	.	0	.	DFT	DOI link
MMD-147	Co8N	2	18	monoclinic	C2/m [12]	0.041	0.041	AGA search	1.23	1.39	a	-0.54	-0.36	0.17	.	.	DFT	DOI link
MMD-148	Co8N	2	18	monoclinic	C2/m [12]	0.041	0.041	AGA search	1.35	1.51	b	0.02	-0.07	-0.09	.	.	DFT	DOI link
MMD-149	Co8N	2	18	orthorhombic	Cmmm [65]	0.043	0.043	AGA search	1.3	1.45	b	-0.98	-1.5	-0.52	.	.	DFT	DOI link
MMD-150	Co8N	2	18	orthorhombic	P2_12_12 [18]	0.044	0.044	AGA search	1.22	1.38	a	-0.19	-0.06	0.14	.	.	DFT	DOI link
MMD-151	Fe3Ni3B2	2	16	orthorhombic	Amm2 [38]	0.019	.	AGA search	0.63	0.76	c	0.62	0.51	-0.1	.	.	DFT	MS
MMD-152	Fe2NiB	4	16	orthorhombic	Cmcm [63]	0.124	.	AGA search	0.94	1.12	b	0.78	-0.35	-1.13	.	.	DFT	MS
MMD-153	Fe4NiB	2	12	tetragonal	I4/m [87]	0.149	.	AGA search	1.39	1.63	c	1.19	.	.	.	.	DFT	MS
MMD-154	Fe4Ni4B	1	9	tetragonal	P4/mmm [123]	0.079	.	AGA search	1.32	1.46	c	1.22	.	.	.	.	DFT	MS
MMD-155	Fe4Ni2B	2	14	tetragonal	P4/mmm [123]	0.158	.	AGA search	1.08	1.21	c	1.45	.	.	.	.	DFT	MS
MMD-156	Fe5NiB	2	14	tetragonal	P4/mmm [123]	0.199	.	AGA search	1.35	1.54	c	0.85	.	.	.	.	DFT	MS
MMD-157	Fe2Ni2B	2	10	tetragonal	I4/mmm [139]	0.078	.	AGA search	1.03	1.17	c	1.93	.	.	.	.	DFT	MS
MMD-158	Fe2Ni2B	4	20	tetragonal	I4/mmm [139]	0.006	.	AGA search	0.93	1.11	c	1.27	.	.	.	.	DFT	MS
MMD-159	Fe3NiB	4	20	tetragonal	I4/mmm [139]	0.172	.	AGA search	1.27	1.45	ab plane	-1.49	.	.	.	.	DFT	MS
MMD-160	Fe5Ni3B2	2	20	tetragonal	I4/mmm [139]	0.045	.	AGA search	0.87	1.04	c	1.11	.	.	.	.	DFT	MS
MMD-161	YCo5	6	36	trigonal	R32 [155]	0.007	0.129	AGA search	1.15	1	c	1.35	.	.	.	.	DFT	DOI link
MMD-162	YCo5	6	36	trigonal	R3m [160]	-0.064	0.058	AGA search	1.19	1.02	c	0.62	.	.	.	.	DFT	DOI link
MMD-163	YCo5	4	24	hexagonal	P6_322 [182]	0.006	0.128	AGA search	1.15	1	c	1.34	.	.	.	.	DFT	DOI link
MMD-164	YCo5	4	24	hexagonal	P-62c [190]	0.006	0.128	AGA search	1.15	1	c	1.47	.	.	.	.	DFT	DOI link
MMD-165	YCo5	1	6	hexagonal	P6/mmm [191]	-0.107	0.015	confirmed	1.2	1.01	c	2.68	.	.	.	.	DFT	DOI link
MMD-166	ZrCo5	6	36	trigonal	R32 [155]	-0.123	0.068	AGA search	1	0.94	c	1.31	.	.	.	.	DFT	DOI link
MMD-167	ZrCo5	6	36	trigonal	R3m [160]	-0.135	0.055	AGA search	1.05	0.96	c	0.07	.	.	.	.	DFT	DOI link
MMD-168	ZrCo5	4	24	hexagonal	P6_322 [182]	-0.128	0.063	AGA search	1.01	0.94	c	1.05	.	.	.	.	DFT	DOI link
MMD-169	ZrCo5	4	24	hexagonal	P-62c [190]	-0.128	0.063	AGA search	1.01	0.94	c	1.24	.	.	.	.	DFT	DOI link
MMD-170	ZrCo5	1	6	hexagonal	P6/mmm [191]	-0.131	0.06	AGA search	1.08	0.97	c	1.01	.	.	.	.	DFT	DOI link
MMD-171	Fe8N	1	9	tetragonal	P4/mmm [123]	0.07	0.1	AGA search	1.99	2.18	c	0.11	.	.	.	.	DFT	MS
MMD-172	Fe8N	4	36	cubic	Fm-3m [225]	0.061	0.091	AGA search	1.96	2.07	a	.	.	.	0.01	.	DFT	MS
MMD-173	Fe8N	4	36	cubic	Fm-3m [225]	0.078	0.109	AGA search	0.51	0.61	.	.	.	.	.	.	DFT	MS
MMD-174	Fe8N	2	18	tetragonal	I4/mmm [139]	-0.03	0	AGA search	2.11	2.21	c	0.8	.	.	.	.	DFT	MS
MMD-175	Fe3N	2	8	hexagonal	P6_322 [182]	-0.068	0	AGA search	1.53	1.77	ab plane	-0.39	.	.	.	.	DFT	MS
MMD-176	Fe4N	1	5	cubic	Pm-3m [221]	-0.037	0.017	AGA search	1.98	2.12	a	.	.	.	0	.	DFT	MS
MMD-177	Fe5N	4	24	orthorhombic	Cmcm [63]	-0.013	0.032	AGA search	1.91	2.07	c	0.18	0.39	0.21	.	.	DFT	MS
MMD-178	Fe5N	4	24	orthorhombic	Cmmm [65]	-0.013	0.032	AGA search	1.92	2.06	a	-0.58	-0.74	-0.16	.	.	DFT	MS
MMD-179	Fe6N	2	14	monoclinic	C2/m [12]	-0.005	0.034	AGA search	1.95	2.09	c	0.35	0.87	0.52	.	.	DFT	MS
MMD-180	Fe6N	4	28	orthorhombic	Imma [74]	-0.004	0.035	AGA search	1.88	2.04	c	0.45	0.73	0.28	.	.	DFT	MS
MMD-181	Fe7N	4	32	orthorhombic	Cmcm [63]	-0.013	0.021	AGA search	1.99	2.13	a	-0.01	0.2	0.22	.	.	DFT	MS
MMD-182	Fe7N	4	32	orthorhombic	Cmmm [65]	-0.011	0.023	AGA search	2	2.12	a	-0.36	-0.02	0.34	.	.	DFT	MS
MMD-183	Fe8N	1	9	tetragonal	P4/mmm [123]	0.011	0.041	AGA search	1.86	2.01	ab plane	-0.25	.	.	.	.	DFT	MS
MMD-184	Fe8N	1	9	tetragonal	P4/mmm [123]	0.011	0.041	AGA search	1.86	2	c	0.23	0.02	-0.21	.	.	DFT	MS
MMD-185	Fe8N	1	9	tetragonal	P4/mmm [123]	0.02	0.05	AGA search	2	2.17	c	0.48	.	.	.	.	DFT	MS
MMD-186	Fe5N	4	24	orthorhombic	Cmmm [65]	-0.013	0.032	AGA search	1.92	2.06	a	-0.59	-0.75	-0.16	.	.	DFT	MS
MMD-187	Fe5N	4	24	orthorhombic	Cmcm [63]	-0.013	0.032	AGA search	1.91	2.07	c	0.18	0.39	0.21	.	.	DFT	MS
MMD-188	Fe3Ge	4	16	orthorhombic	Cmcm [63]	-0.025	0.077	AGA search	1.55	1.49	a	-0.09	0.32	0.41	.	.	DFT	MS
MMD-189	Fe3Ge	2	8	hexagonal	P6_3/mmc [194]	-0.093	0.009	AGA search	1.6	1.55	ab plane	-0.31	.	.	.	.	DFT	MS
MMD-190	Fe3Ge	1	4	cubic	Pm-3m [221]	-0.097	0.004	AGA search	1.6	1.55	<111>	.	.	.	0	.	DFT	MS
MMD-191	Fe3Ge	4	16	cubic	Fm-3m [225]	-0.102	0	AGA search	1.36	1.36	a	.	.	.	0	.	DFT	MS
MMD-192	CoN	4	8	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-193	CoN	4	8	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-194	CoN	4	8	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-195	CoN	4	8	cubic	F-43m [216]	0.085	0.085	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-196	CoN	4	8	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-197	CoN	2	4	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-198	CoN	2	4	cubic	F-43m [216]	0.086	0.086	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-199	CoN	4	8	cubic	F-43m [216]	0.087	0.087	AGA search	0	0	.	.	.	.	.	.	DFT	MS
MMD-200	CoN	2	4	tetragonal	I-4m2 [119]	0.093	0.093	AGA search	0	0	.	.	.	.	.	.	DFT	MS